>compound Caprylic acid
>formula C8H16O2
>parentmass 145.122354832631
>charge 1

>ms1peaks
41.0389750896336 1.31107
42.0359588886732 0.621068
43.0198801917336 0.597185
43.0547291720504 2.25746
55.0551958576453 2.10671
57.0713240617015 4.38436
60.9896110962229 0.671494
62.9826487665164 1.91151
69.0713434245577 1.39461
80.0029358281604 0.795236
83.05126916644 0.689191
83.0847042938939 0.506563
87.0457273479825 1.21394
89.012192464068 0.895894
89.0603532408361 13.0822
95.5098540955094 2.07053
96.0217967971625 1.04609
97.1019631812736 0.769903
101.058770747694 0.76413
102.012035804567 1.98716
103.000334639469 24.8293
103.075480682457 4.41773
103.119158780598 0.516406
104.008801919863 21.4952
104.090654094948 0.625154
109.100785054319 0.768918
109.527668594588 1.07511
123.004498931506 0.950761
127.108910927742 0.719994
132.990173411214 1.28851
138.99950277106 1.07601
144.034983223884 2.1038
144.490859798239 1.12071
144.564517857284 51.8517
144.645895798842 0.978617
144.675255964102 0.991207
144.701104654101 0.578268
145.035881491254 49.3897
145.122572617091 100.0
145.231356955732 2.25433
145.264354171247 1.64874
145.34054076188 0.684804
145.448300504959 1.03496
145.52218973399 0.663419
145.551371335133 0.558351
145.588889614483 0.866148
145.782853492951 0.744081
145.894941251245 0.565005
145.974774148025 0.519457

>collision 10.0
29.0404488223147 2.31666
41.0399756450757 32.0423
41.0848527830978 0.823184
42.0348901658596 4.01933
43.018712574501 11.1837
43.0551887173308 55.6052
43.1138868423982 0.869947
43.1321612601194 0.707787
45.033938619416 2.25518
45.8110401474764 0.728488
55.0186509975519 1.09851
55.0549219413431 37.5186
55.1230566434536 0.757119
57.0333056643454 2.89678
57.0709255080027 58.3828
57.1331159411621 1.43977
57.1607110706033 0.57834
57.3250663720748 0.82179
58.0727701558464 0.8054
59.0503830612964 7.4265
60.9904459712402 5.98544
62.0185149022122 1.43517
62.9833276538017 8.86736
63.0283286772734 0.509155
66.0064601916878 0.770861
67.0559985532779 6.64784
69.0705397224158 10.1633
70.95562909043 0.874514
71.0492894284093 5.36223
71.0860563495668 4.59698
73.0652753796632 1.25824
73.5156048344654 5.73475
73.9985985701239 0.647822
74.5233255664979 0.552559
74.987201943455 0.75434
75.0446951355839 10.2377
79.0171191401441 1.051
79.0499309702003 1.19225
81.0131993261588 2.13464
81.0694567947967 0.994996
81.5124971563131 6.02082
83.0495008459648 7.24872
83.0849721192043 4.10735
85.0644238502664 0.623841
85.5958351641708 0.555311
86.0003348649333 0.696451
87.001897840642 2.5002
87.044865466534 1.70232
87.0719063059726 0.602211
88.0179486330835 0.692756
89.0118428682845 6.26365
89.0599571566456 100.0
89.1470960385096 1.76129
89.1801542147328 0.625574
89.3303155666337 0.931364
89.3771939505282 0.521886
89.5116281826703 1.53081
89.8158757374871 1.09599
90.4674589579819 0.755165
90.9775435543229 6.54159
95.5107624860709 11.3004
96.0218311339075 0.530639
96.5175269175467 0.583127
96.935733522251 0.95986
97.057827965939 0.654
97.104663652129 2.76875
97.9363208576345 0.951595
97.9721862231405 1.42858
97.997442245036 0.612961
98.4730740095395 0.648366
101.03010833737 0.904362
101.059870316695 0.958863
101.528129922511 0.66796
102.008898572127 2.33786
102.033568072024 0.674378
102.517172247859 0.918599
103.000806271881 14.908
103.074833346131 40.4188
103.157144838953 0.905999
103.254017995706 0.613133
103.953084189179 5.6924
104.00922192165 86.193
104.078051502747 2.37275
104.10264436316 1.46602
104.130836224323 0.868709
104.254250722353 0.699426
104.357873696054 0.739974
104.754172406892 0.543934
104.992506329681 1.51546
105.486302048025 2.7754
105.643463886923 0.601579
105.978746579819 3.29158
107.009340307084 0.78684
107.524070521866 1.64192
108.518031281302 0.791912
109.100884820814 3.67517
109.526811330734 2.92522
116.532609340417 1.24891
117.091261626529 1.02891
120.989119932257 3.86434
123.004405244589 5.92148
123.542209119613 0.874035
125.094181007339 1.16136
126.963612773836 0.568645
127.035505809152 0.543673
130.545462099577 1.45346
130.971626358749 0.585745
132.989031154696 23.1962
138.999203676774 3.57342
143.034416394898 0.716767
144.028113733281 1.42242
144.563473432508 3.27912
145.031262631277 3.16153
145.057300577779 1.04191
145.122354832631 47.5866
145.214748742093 1.0077
145.741036989384 0.705891

>collision 20.0
29.0382676959777 3.91652
29.0559174429253 0.760647
39.0247980398252 4.8772
41.0397855801121 81.2933
41.0977693165644 1.49031
41.1159251235879 1.0029
41.1498674010979 0.685268
41.2038946334761 0.710629
42.0363438536147 5.24247
43.0201570315396 10.785
43.0553399477082 100.0
43.1156832863074 1.99523
43.1487662878497 0.848233
43.2185340870654 0.77114
43.2937782513137 1.07957
44.3897465276754 0.872688
44.9923456662019 3.09566
45.0341787409705 8.23167
47.0142941610542 4.3943
55.0194386297176 2.01115
55.0549560807026 68.3059
55.1241620465024 1.48995
55.2757914062191 0.702594
55.8847566895449 0.926666
57.0357717703401 5.03667
57.0708015864138 37.0667
57.1098933164253 1.55846
57.1406845038382 0.71173
58.0004585174904 1.83701
59.0066710061988 3.3289
59.0496706710431 6.36586
60.0084870719481 2.21042
60.9877533267368 17.5986
61.007552593756 8.76174
62.0203916420822 2.76712
62.9292065131936 4.84781
62.9832335655568 27.3461
63.0568137255249 0.970424
63.9916085571273 0.848019
67.0541576271134 10.249
68.0037595514442 1.73235
69.0707076738083 12.473
71.0062203606255 2.40562
71.0508996617709 7.25777
71.0869981735874 1.62087
72.5046760661431 1.35995
73.027267664217 0.671595
73.0652333671949 1.26817
73.1786002634226 0.661475
73.5163090037805 8.09525
73.9976836274146 0.788272
75.0446096915734 10.845
75.9553305943799 0.727149
76.0026894074254 2.47055
79.0544325376994 1.06619
81.0108487459825 1.33631
81.0689048940566 2.20705
81.5125713341346 4.32573
83.0470352207361 1.23412
83.0861494141574 4.48791
83.1707517040045 0.632416
84.0055801736485 1.82062
85.0675490820614 2.22412
87.0025177430792 22.1415
88.0231634627538 0.701543
88.969408102629 0.759362
89.0596389585472 29.4397
90.9783847896686 14.2446
94.5274756791742 1.50416
97.1030455338863 1.40767
97.9724340673896 3.15722
99.0036007767434 1.33005
100.919769271896 1.2032
102.005259618143 3.28422
102.997983156459 9.11174
103.073483497944 7.09351
103.165233994189 0.723213
103.954240159233 4.03967
104.00948430951 25.5405
104.07686286196 0.678765
104.48541220591 0.839263
104.995910291528 7.45238
105.964152675329 0.796682
107.086219387541 1.85026
108.015129363192 0.670706
113.020566204304 1.84467
114.995301393189 0.967059
116.90742504197 1.09904
117.005559012395 1.33669
117.045901256087 0.617126
119.008580098674 0.678517
120.988109127006 6.96153
123.006213092627 7.87092
125.976462063263 1.16626
132.990398091627 21.4885
133.988639676607 1.0051
141.044938751704 1.17347
143.028619998018 1.29007

>collision 40.0
31.0184225983632 1.26776
39.0248236483365 13.1691
41.0398041260857 100.0
41.1091838118604 1.58886
42.9784578693247 1.74822
43.0181306601746 5.87917
43.0553629182705 49.6266
43.0947307937709 1.88777
43.9845631655154 7.18067
44.9935950479857 23.0654
45.0346707960412 7.66501
45.9849026824535 4.18487
47.0026967195917 4.89757
54.9377680646919 2.06487
55.0164197428442 4.43657
55.0555884770264 30.6758
57.0702924380582 7.56844
58.0011082856577 8.4171
59.0021996977181 4.51011
59.975873912372 1.32942
60.7544764500671 1.36678
60.9873868035609 51.2484
61.0086327076348 17.2923
61.3075581970212 1.31394
62.020718146453 2.83016
62.9293042106746 29.127
62.9830611329407 43.7453
63.0420547029394 1.29955
63.3059677262085 1.29914
65.0396935770481 3.19336
67.054833216725 2.13509
69.0250577587668 1.20856
71.0059383295335 1.6803
73.028139570062 2.28448
75.9534714295175 1.70378
76.9670744953263 1.97571
85.007780751933 3.23933
85.9828531806028 1.56782
87.0022815759063 3.42736
90.9786450553047 12.2807
102.988157639553 1.1922
109.001619417888 2.0634
116.922529491482 1.59299
123.004184538539 1.21479
144.869359012705 1.38553

